UCSF

ZINC52827412

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 Yes

Popular Name: 6-[(dibutylamino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(dibutylamino)methyl]-1-methy…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 5.99 -44.34 1 6 0 71 291.399 8 ↓
Mid Mid (pH 6-8) 2.32 6.36 -10.42 1 6 0 67 291.399 8 ↓
Mid Mid (pH 6-8) 2.32 8.57 -53.61 2 6 1 68 292.407 8 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.